#------------------------------------------------------------------------------
#$Date: 2021-04-16 11:46:56 +0300 (Fri, 16 Apr 2021) $
#$Revision: 264242 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/87/4348720.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4348720
loop_
_publ_author_name
'Milin, Eric'
'Belaïd, Sabrina'
'Patinec, Véronique'
'Triki, Smail'
'Chastanet, Guillaume'
'Marchivie, Mathieu'
_publ_section_title
;
 Dinuclear Spin-Crossover Complexes Based on Tetradentate and Bridging
 Cyanocarbanion Ligands.
;
_journal_issue                   17
_journal_name_full               'Inorganic chemistry'
_journal_page_first              9038
_journal_page_last               9046
_journal_paper_doi               10.1021/acs.inorgchem.6b01542
_journal_volume                  55
_journal_year                    2016
_chemical_formula_moiety         'C56 H36 Fe2 N20'
_chemical_formula_sum            'C56 H36 Fe2 N20'
_chemical_formula_weight         1100.74
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2015-12-22
_audit_creation_method
;
Olex2 1.2
(compiled Sep 16 2015 11:44:03 for OlexSys, GUI svn.r5103)
;
_cell_angle_alpha                90
_cell_angle_beta                 106.370(8)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.932(4)
_cell_length_b                   18.6374(10)
_cell_length_c                   13.7875(5)
_cell_measurement_reflns_used    4689
_cell_measurement_temperature    370
_cell_measurement_theta_max      25.249
_cell_measurement_theta_min      3.597
_cell_volume                     2695.2(10)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      370
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1459
_diffrn_reflns_av_unetI/netI     0.1980
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            17574
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.250
_diffrn_reflns_theta_min         3.551
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    0.597
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.5898
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0835 before and 0.0719 after correction.
The Ratio of minimum to maximum transmission is 0.7914.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.356
_exptl_crystal_description       prism
_exptl_crystal_F_000             1128
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.272
_refine_diff_density_min         -0.258
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.989
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         4845
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.989
_refine_ls_R_factor_all          0.2354
_refine_ls_R_factor_gt           0.0790
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0709P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1353
_refine_ls_wR_factor_ref         0.1810
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1842
_reflns_number_total             4845
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic6b01542_si_002.cif
_cod_data_source_block           compound1p-370K
_cod_depositor_comments
;

2021-04-15
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C112 H72 Fe4 N40'
_cod_original_formula_weight         2201.49
_cod_original_formula_moiety         '2(C56 H36 Fe2 N20)'
_cod_original_formula_units_Z            1
_cod_database_code               4348720
_shelxl_version_number           2013-4
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.943
_shelx_estimated_absorpt_t_min   0.890
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C00P(H00A,H00B), C00X(H00C,H00D), C011(H01A,H01B)
2.b Aromatic/amide H refined with riding coordinates:
 C00I(H00I), C00K(H00K), C00N(H00N), C00S(H00S), C00U(H00U), C00V(H00V),
 C00W(H00W), C00Y(H00Y), C00Z(H00Z), C010(H010), C012(H012), C013(H013)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
Fe01 Fe 0.87230(9) 0.64605(4) 0.32657(6) 0.0614(4) Uani 1 1 d .
N002 N 1.1973(5) 0.4125(3) 0.5753(4) 0.0749(17) Uani 1 1 d .
N003 N 1.0462(6) 0.5906(3) 0.3856(4) 0.0755(17) Uani 1 1 d .
N004 N 0.7090(5) 0.7142(3) 0.2698(4) 0.0663(14) Uani 1 1 d .
N005 N 0.9489(5) 0.7385(3) 0.4098(4) 0.0653(14) Uani 1 1 d .
N006 N 0.8335(6) 0.5743(3) 0.2017(4) 0.0772(16) Uani 1 1 d .
N007 N 0.9360(5) 0.7073(3) 0.2139(4) 0.0669(15) Uani 1 1 d .
C008 C 1.1260(7) 0.5496(4) 0.4097(5) 0.0622(18) Uani 1 1 d .
C009 C 1.3869(6) 0.4310(3) 0.3851(4) 0.0588(16) Uani 1 1 d .
C00A C 1.3228(6) 0.4947(3) 0.3886(4) 0.0603(17) Uani 1 1 d .
C00B C 1.2210(6) 0.4972(3) 0.4363(5) 0.0644(17) Uani 1 1 d .
C00C C 1.2106(6) 0.4496(3) 0.5126(5) 0.0635(18) Uani 1 1 d .
C00D C 1.3371(7) 0.6275(4) 0.3774(6) 0.079(2) Uani 1 1 d .
C00E C 1.5073(8) 0.4301(3) 0.3661(5) 0.0694(19) Uani 1 1 d .
N00F N 1.6049(7) 0.4283(3) 0.3521(5) 0.0927(19) Uani 1 1 d .
N00G N 1.3269(7) 0.6849(3) 0.4057(5) 0.108(2) Uani 1 1 d .
C00H C 1.3538(6) 0.5587(4) 0.3438(5) 0.0720(19) Uani 1 1 d .
C00I C 0.9236(7) 0.7601(4) 0.4948(6) 0.081(2) Uani 1 1 d .
H00I H 0.8769 0.7302 0.5250 0.097 Uiso 1 1 calc R
C00J C 1.3400(7) 0.3639(4) 0.3999(5) 0.080(2) Uani 1 1 d .
C00K C 0.7635(8) 0.5153(5) 0.1942(8) 0.097(3) Uani 1 1 d .
H00K H 0.7241 0.5048 0.2441 0.117 Uiso 1 1 calc R
C00L C 1.0127(7) 0.7819(4) 0.3654(5) 0.0695(19) Uani 1 1 d .
N00M N 1.3024(7) 0.3069(3) 0.4088(6) 0.124(3) Uani 1 1 d .
C00N C 0.6133(8) 0.7233(4) 0.3117(5) 0.084(2) Uani 1 1 d .
H00N H 0.6017 0.6890 0.3573 0.101 Uiso 1 1 calc R
C00O C 1.4051(7) 0.5549(4) 0.2600(6) 0.090(2) Uani 1 1 d .
C00P C 0.9790(8) 0.6548(4) 0.1516(5) 0.093(2) Uani 1 1 d .
H00A H 1.0652 0.6396 0.1860 0.112 Uiso 1 1 calc R
H00B H 0.9796 0.6766 0.0878 0.112 Uiso 1 1 calc R
C00Q C 0.7242(7) 0.7635(4) 0.2043(5) 0.0645(18) Uani 1 1 d .
C00R C 0.8916(8) 0.5910(4) 0.1323(6) 0.083(2) Uani 1 1 d .
C00S C 0.6482(8) 0.8236(4) 0.1813(5) 0.082(2) Uani 1 1 d .
H00S H 0.6626 0.8583 0.1373 0.098 Uiso 1 1 calc R
N00T N 1.4426(8) 0.5489(4) 0.1907(5) 0.139(3) Uani 1 1 d .
C00U C 0.9641(9) 0.8244(6) 0.5381(6) 0.100(3) Uani 1 1 d .
H00U H 0.9452 0.8382 0.5971 0.120 Uiso 1 1 calc R
C00V C 1.0564(7) 0.8485(4) 0.4060(7) 0.096(2) Uani 1 1 d .
H00V H 1.1005 0.8786 0.3738 0.115 Uiso 1 1 calc R
C00W C 0.5328(8) 0.7799(5) 0.2907(7) 0.101(2) Uani 1 1 d .
H00W H 0.4665 0.7841 0.3203 0.121 Uiso 1 1 calc R
C00X C 1.0386(7) 0.7552(4) 0.2712(5) 0.081(2) Uani 1 1 d .
H00C H 1.0463 0.7957 0.2291 0.097 Uiso 1 1 calc R
H00D H 1.1190 0.7294 0.2886 0.097 Uiso 1 1 calc R
C00Y C 0.7488(10) 0.4706(6) 0.1157(12) 0.132(4) Uani 1 1 d .
H00Y H 0.7024 0.4285 0.1133 0.159 Uiso 1 1 calc R
C00Z C 1.0331(10) 0.8688(5) 0.4941(9) 0.116(3) Uani 1 1 d .
H00Z H 1.0638 0.9124 0.5241 0.139 Uiso 1 1 calc R
C010 C 0.5512(8) 0.8310(4) 0.2250(7) 0.101(3) Uani 1 1 d .
H010 H 0.4976 0.8707 0.2100 0.122 Uiso 1 1 calc R
C011 C 0.8228(7) 0.7486(4) 0.1514(5) 0.079(2) Uani 1 1 d .
H01A H 0.8523 0.7938 0.1314 0.094 Uiso 1 1 calc R
H01B H 0.7839 0.7216 0.0903 0.094 Uiso 1 1 calc R
C012 C 0.8003(13) 0.4858(7) 0.0403(11) 0.152(5) Uani 1 1 d .
H012 H 0.7865 0.4560 -0.0158 0.183 Uiso 1 1 calc R
C013 C 0.8760(10) 0.5484(6) 0.0485(8) 0.127(3) Uani 1 1 d .
H013 H 0.9142 0.5603 -0.0016 0.153 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N002 Fe01 N003 86.9(2) 3_766 .
N002 Fe01 N004 97.5(2) 3_766 .
N002 Fe01 N005 103.9(2) 3_766 .
N002 Fe01 N006 100.0(2) 3_766 .
N002 Fe01 N007 176.4(2) 3_766 .
N003 Fe01 N004 173.0(2) . .
N003 Fe01 N006 87.5(2) . .
N003 Fe01 N007 95.5(2) . .
N004 Fe01 N007 80.3(2) . .
N005 Fe01 N003 90.8(2) . .
N005 Fe01 N004 82.94(19) . .
N005 Fe01 N006 155.9(3) . .
N005 Fe01 N007 78.7(2) . .
N006 Fe01 N004 96.95(19) . .
N006 Fe01 N007 77.6(2) . .
C00C N002 Fe01 165.9(5) . 3_766
C008 N003 Fe01 166.9(6) . .
C00N N004 Fe01 125.9(5) . .
C00Q N004 Fe01 113.9(5) . .
C00Q N004 C00N 117.8(6) . .
C00I N005 Fe01 125.1(5) . .
C00L N005 Fe01 115.3(5) . .
C00L N005 C00I 119.0(6) . .
C00K N006 Fe01 124.3(6) . .
C00R N006 Fe01 114.2(5) . .
C00R N006 C00K 121.3(7) . .
C00P N007 Fe01 106.6(4) . .
C00P N007 C00X 113.4(6) . .
C00P N007 C011 110.7(5) . .
C00X N007 Fe01 106.3(4) . .
C00X N007 C011 112.1(5) . .
C011 N007 Fe01 107.3(4) . .
N003 C008 C00B 177.5(8) . .
C00A C009 C00E 121.5(6) . .
C00A C009 C00J 123.7(6) . .
C00J C009 C00E 114.8(6) . .
C009 C00A C00B 120.3(6) . .
C009 C00A C00H 121.1(6) . .
C00H C00A C00B 118.5(6) . .
C008 C00B C00A 120.9(6) . .
C008 C00B C00C 115.3(5) . .
C00C C00B C00A 123.8(6) . .
N002 C00C C00B 176.8(7) . .
N00G C00D C00H 178.1(8) . .
N00F C00E C009 178.7(8) . .
C00D C00H C00A 123.8(6) . .
C00D C00H C00O 115.8(6) . .
C00O C00H C00A 120.4(6) . .
N005 C00I H00I 119.0 . .
N005 C00I C00U 121.9(8) . .
C00U C00I H00I 119.0 . .
N00M C00J C009 177.1(7) . .
N006 C00K H00K 119.5 . .
N006 C00K C00Y 121.0(10) . .
C00Y C00K H00K 119.5 . .
N005 C00L C00V 121.7(7) . .
N005 C00L C00X 116.9(6) . .
C00V C00L C00X 121.4(8) . .
N004 C00N H00N 118.4 . .
N004 C00N C00W 123.1(7) . .
C00W C00N H00N 118.4 . .
N00T C00O C00H 176.6(9) . .
N007 C00P H00A 109.7 . .
N007 C00P H00B 109.7 . .
N007 C00P C00R 109.8(6) . .
H00A C00P H00B 108.2 . .
C00R C00P H00A 109.7 . .
C00R C00P H00B 109.7 . .
N004 C00Q C00S 122.3(7) . .
N004 C00Q C011 116.7(6) . .
C00S C00Q C011 120.8(7) . .
N006 C00R C00P 117.9(7) . .
N006 C00R C013 120.1(8) . .
C013 C00R C00P 121.9(9) . .
C00Q C00S H00S 120.9 . .
C010 C00S C00Q 118.2(7) . .
C010 C00S H00S 120.9 . .
C00I C00U H00U 120.3 . .
C00I C00U C00Z 119.4(8) . .
C00Z C00U H00U 120.3 . .
C00L C00V H00V 120.8 . .
C00Z C00V C00L 118.5(8) . .
C00Z C00V H00V 120.8 . .
C00N C00W H00W 120.8 . .
C00N C00W C010 118.5(8) . .
C010 C00W H00W 120.8 . .
N007 C00X C00L 111.4(5) . .
N007 C00X H00C 109.3 . .
N007 C00X H00D 109.3 . .
C00L C00X H00C 109.3 . .
C00L C00X H00D 109.3 . .
H00C C00X H00D 108.0 . .
C00K C00Y H00Y 119.6 . .
C00K C00Y C012 120.8(12) . .
C012 C00Y H00Y 119.6 . .
C00U C00Z H00Z 120.3 . .
C00V C00Z C00U 119.4(8) . .
C00V C00Z H00Z 120.3 . .
C00S C010 C00W 120.0(8) . .
C00S C010 H010 120.0 . .
C00W C010 H010 120.0 . .
N007 C011 H01A 108.7 . .
N007 C011 H01B 108.7 . .
C00Q C011 N007 114.1(5) . .
C00Q C011 H01A 108.7 . .
C00Q C011 H01B 108.7 . .
H01A C011 H01B 107.6 . .
C00Y C012 H012 120.8 . .
C00Y C012 C013 118.4(12) . .
C013 C012 H012 120.8 . .
C00R C013 C012 118.3(10) . .
C00R C013 H013 120.8 . .
C012 C013 H013 120.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Fe01 N002 2.045(6) 3_766
Fe01 N003 2.115(7) .
Fe01 N004 2.150(5) .
Fe01 N005 2.108(5) .
Fe01 N006 2.125(6) .
Fe01 N007 2.194(5) .
N002 Fe01 2.045(6) 3_766
N002 C00C 1.148(7) .
N003 C008 1.137(7) .
N004 C00N 1.341(8) .
N004 C00Q 1.331(7) .
N005 C00I 1.340(8) .
N005 C00L 1.326(8) .
N006 C00K 1.328(8) .
N006 C00R 1.326(8) .
N007 C00P 1.465(7) .
N007 C00X 1.476(7) .
N007 C011 1.505(7) .
C008 C00B 1.398(9) .
C009 C00A 1.387(8) .
C009 C00E 1.412(9) .
C009 C00J 1.387(9) .
C00A C00B 1.444(8) .
C00A C00H 1.427(8) .
C00B C00C 1.405(9) .
C00D N00G 1.155(8) .
C00D C00H 1.393(9) .
C00E N00F 1.137(7) .
C00H C00O 1.421(10) .
C00I H00I 0.9300 .
C00I C00U 1.355(9) .
C00J N00M 1.158(8) .
C00K H00K 0.9300 .
C00K C00Y 1.339(13) .
C00L C00V 1.390(9) .
C00L C00X 1.491(9) .
C00N H00N 0.9300 .
C00N C00W 1.353(9) .
C00O N00T 1.146(8) .
C00P H00A 0.9700 .
C00P H00B 0.9700 .
C00P C00R 1.502(9) .
C00Q C00S 1.378(8) .
C00Q C011 1.488(9) .
C00R C013 1.372(10) .
C00S H00S 0.9300 .
C00S C010 1.366(10) .
C00U H00U 0.9300 .
C00U C00Z 1.372(12) .
C00V H00V 0.9300 .
C00V C00Z 1.363(11) .
C00W H00W 0.9300 .
C00W C010 1.366(10) .
C00X H00C 0.9700 .
C00X H00D 0.9700 .
C00Y H00Y 0.9300 .
C00Y C012 1.344(14) .
C00Z H00Z 0.9300 .
C010 H010 0.9300 .
C011 H01A 0.9700 .
C011 H01B 0.9700 .
C012 H012 0.9300 .
C012 C013 1.416(13) .
C013 H013 0.9300 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
Fe01 N004 C00N C00W 161.1(5)
Fe01 N004 C00Q C00S -161.4(5)
Fe01 N004 C00Q C011 22.2(6)
Fe01 N005 C00I C00U -172.1(5)
Fe01 N005 C00L C00V 172.8(5)
Fe01 N005 C00L C00X -8.8(7)
Fe01 N006 C00K C00Y -176.4(6)
Fe01 N006 C00R C00P 2.3(8)
Fe01 N006 C00R C013 179.0(5)
Fe01 N007 C00P C00R 39.3(6)
Fe01 N007 C00X C00L -36.1(6)
Fe01 N007 C011 C00Q 25.1(6)
N004 C00N C00W C010 -1.1(11)
N004 C00Q C00S C010 -2.5(10)
N004 C00Q C011 N007 -32.9(8)
N005 C00I C00U C00Z -0.1(11)
N005 C00L C00V C00Z 0.4(10)
N005 C00L C00X N007 31.6(8)
N006 C00K C00Y C012 -2.7(15)
N006 C00R C013 C012 -1.9(12)
N007 C00P C00R N006 -29.4(9)
N007 C00P C00R C013 153.9(7)
C009 C00A C00B C008 -155.8(6)
C009 C00A C00B C00C 25.5(9)
C009 C00A C00H C00D -151.9(7)
C009 C00A C00H C00O 27.9(9)
C00B C00A C00H C00D 29.4(9)
C00B C00A C00H C00O -150.8(6)
C00E C009 C00A C00B -161.7(6)
C00E C009 C00A C00H 19.6(9)
C00H C00A C00B C008 23.0(9)
C00H C00A C00B C00C -155.7(6)
C00I N005 C00L C00V 1.5(9)
C00I N005 C00L C00X 179.9(5)
C00I C00U C00Z C00V 2.0(12)
C00J C009 C00A C00B 18.1(10)
C00J C009 C00A C00H -160.7(6)
C00K N006 C00R C00P -174.2(6)
C00K N006 C00R C013 2.5(11)
C00K C00Y C012 C013 3.3(17)
C00L N005 C00I C00U -1.7(10)
C00L C00V C00Z C00U -2.2(12)
C00N N004 C00Q C00S 2.2(9)
C00N N004 C00Q C011 -174.2(6)
C00N C00W C010 C00S 0.7(12)
C00P N007 C00X C00L -152.9(5)
C00P N007 C011 C00Q 141.1(6)
C00P C00R C013 C012 174.7(8)
C00Q N004 C00N C00W -0.3(10)
C00Q C00S C010 C00W 1.0(11)
C00R N006 C00K C00Y -0.2(11)
C00S C00Q C011 N007 150.6(6)
C00V C00L C00X N007 -150.0(6)
C00X N007 C00P C00R 156.0(5)
C00X N007 C011 C00Q -91.2(6)
C00X C00L C00V C00Z -177.9(7)
C00Y C012 C013 C00R -1.0(15)
C011 N007 C00P C00R -77.1(7)
C011 N007 C00X C00L 80.9(6)
C011 C00Q C00S C010 173.7(7)
